[3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone

C26H24FN5O3S — CID 118662812

IUPAC[3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
SMILESCS(=O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H24FN5O3S/c1-36(34)19-5-7-22(27)21(13-19)18-14-28-26(29-15-18)32-23-12-17(25(33)31-8-10-35-11-9-31)4-6-20(23)24(30-32)16-2-3-16/h4-7,12-16H,2-3,8-11H2,1H3
InChIKeyUQIWVMJPMGQXJK-UHFFFAOYSA-N
MW505.58 g/mol
LogP3.71
Rot. Bonds5

About [3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone

[3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 118662812) has the molecular formula C26H24FN5O3S and a molecular weight of 505.58 g/mol. Its IUPAC name is [3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
PubChem CID118662812
Molecular FormulaC26H24FN5O3S
Molecular Weight505.58 g/mol
Exact Mass505.16
IUPAC Name[3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone
SMILESCS(=O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1
InChIInChI=1S/C26H24FN5O3S/c1-36(34)19-5-7-22(27)21(13-19)18-14-28-26(29-15-18)32-23-12-17(25(33)31-8-10-35-11-9-31)4-6-20(23)24(30-32)16-2-3-16/h4-7,12-16H,2-3,8-11H2,1H3
InChIKeyUQIWVMJPMGQXJK-UHFFFAOYSA-N
XLogP3.71
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.58
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[5-(5-cyclopropyl-2-fluorophenyl)pyrimidin-2-yl]-3-(1-hydroxyethyl)indazol-6-yl]-morpholin-4-ylmethanone
CID 118662709
[1-[5-(2,6-difluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
CID 118666196
2-[3-[2-(3-cyclopropylindazol-1-yl)pyrimidin-5-yl]-4-fluorophenyl]propan-2-ol
CID 175070887
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 118666022
1-[3-[5-(2-fluorophenyl)pyrimidin-2-yl]-5-(morpholine-4-carbonyl)indol-1-yl]ethanone
CID 137367695
[1-[5-[4-(cyclopropylmethylamino)-2-pyridinyl]pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-morpholin-4-ylmethanone
CID 118666097
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-thiomorpholin-4-ylmethanone
CID 118676837
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 118666435
[1-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]spiro[2H-indole-3,3'-oxetane]-6-yl]-morpholin-4-ylmethanone
CID 129282314
[1-[5-(1-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
CID 144998554
[1-[5-(2-chlorophenyl)pyrimidin-2-yl]-3-methylsulfanylindol-6-yl]-morpholin-4-ylmethanone
CID 118666113
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylsulfinylindol-6-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118676917

Frequently Asked Questions

What is the IUPAC name of [3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone (CID 118662812) is [3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone is CS(=O)c1ccc(F)c(-c2cnc(-n3nc(C4CC4)c4ccc(C(=O)N5CCOCC5)cc43)nc2)c1.
What is the InChIKey of [3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is UQIWVMJPMGQXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3S/c1-36(34)19-5-7-22(27)21(13-19)18-14-28-26(29-15-18)32-23-12-17(25(33)31-8-10-35-11-9-31)4-6-20(23)24(30-32)16-2-3-16/h4-7,12-16H,2-3,8-11H2,1H3.
What are the key properties of [3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone?
[3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 505.58 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-cyclopropyl-1-[5-(2-fluoro-5-methylsulfinylphenyl)pyrimidin-2-yl]indazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118662812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).